Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29979370 | 1.00 | EPHX2 (0.43) | EPHX2TSHRHPGDEPHX1RAB9A | |
| SCHEMBL28961012 | 0.87 | EPHX2 (0.59) | EPHX2TSHRHPGDEPHX1RAB9A | |
| SCHEMBL29979698 | 0.84 | EPHX2 (0.44) | EPHX2TSHRHPGDEPHX1RAB9A | |
| SCHEMBL29979188 | 0.84 | EPHX2 (0.44) | EPHX2TSHRHPGDEPHX1RAB9A | |
| SCHEMBL28514162 | 0.78 | EPHX2 (0.64) | EPHX2TSHRHPGDEPHX1RAB9A | |
| SCHEMBL21606321 | 0.71 | MAPT (0.37) | TSHRPOLBCYP2C19ALDH1A1 | |
| SCHEMBL22922973 | 0.71 | EPHX2 (0.62) | EPHX2TSHRHPGDEPHX1RAB9A | |
| SCHEMBL1095111 | 0.70 | KEAP1 (0.46) | TSHRRAB9ACYP2C19KMT2AALDH1A1 | |
| Cyclohexane SCHEMBL28510424 | 0.70 | KDM4E (0.40) | TSHRPOLBCYP3A4CYP2C19RECQL | |
| SCHEMBL9517922 | 0.69 | KEAP1 (0.45) | TSHRRAB9ACYP2C19KMT2AALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021012949-A1 | 1,2-BIS(DIPHENYLPHOSPHINOALKYLAMIDO)-1,2-DISUBSTITUTED ETHANE AND SYNTHESIS AND USE THEREOF | 浙江大学 | 2021-01-28 | — | — | WO | disclosed |